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Simulating the long-timescale dynamics of biomolecules is a central challenge in computational science. While enhanced sampling methods can accelerate these simulations, they rely on pre-defined collective variables that are often difficult…
In this work we study a multi-step scheme on time-space grids proposed by W. Zhao et al. [28] for solving backward stochastic differential equations, where Lagrange interpolating polynomials are used to approximate the time-integrands with…
A method is suggested for treating those complicated physical problems for which exact solutions are not known but a few approximation terms of a calculational algorithm can be derived. The method permits one to answer the following rather…
Holographic cosmology offers a novel framework for describing the very early Universe in which cosmological predictions are expressed in terms of the observables of a three dimensional quantum field theory (QFT). This framework includes…
Linear programming (LP) is an extremely useful tool and has been successfully applied to solve various problems in a wide range of areas, including operations research, engineering, economics, or even more abstract mathematical areas such…
Topological phase transitions challenge conventional paradigms in many-body physics by separating phases that are locally indistinguishable yet globally distinct. Using a quantum simulator of interacting erbium atoms in an optical lattice,…
Real-time simulation enables the understanding of system operating conditions by evaluating simulation models of physical components running synchronized at the real-time wall clock. Leveraging the real-time measurements of comprehensive…
This paper describes a fourth-order integration algorithm for the gravitational N-body problem based on discrete Lagrangian mechanics. When used with shared timesteps, the algorithm is momentum conserving and symplectic. We generalize the…
Piecewise Diffusion Markov Processes (PDifMPs) are valuable for modelling systems where continuous dynamics are interrupted by sudden shifts and/or changes in drift and diffusion. The first-passage time (FPT) in such models plays a central…
The integrated shear 3-point correlation function $\zeta_{\pm}$ measures the correlation between the local shear 2-point function $\xi_{\pm}$ and the 1-point shear aperture mass in patches of the sky. Unlike other higher-order statistics,…
Interior point methods (IPMs) are a common approach for solving linear programs (LPs) with strong theoretical guarantees and solid empirical performance. The time complexity of these methods is dominated by the cost of solving a linear…
The computer simulation of many molecular processes is complicated by long time scales caused by rare transitions between long-lived states. Here, we propose a new approach to simulate such rare events, which combines transition path…
The large-scale matter distribution in the late-time Universe exhibits gravity-induced non-Gaussianity, and the bispectrum, three-point cumulant is expected to contain significant cosmological information. In particular, the measurement of…
The method of choice for integrating the equations of motion of the general N-body problem has been to use an individual time step scheme. For the sake of efficiency, block time steps have been the most popular, where all time step sizes…
Simulations have become an indispensable tool for accurate modelling of observables measured in galaxy surveys, but can be expensive if very large dynamic range in scale is required. We describe how to combine Lagrangian perturbation theory…
The precise description of quantum nuclear fluctuations in atomistic modelling is possible by employing path integral techniques, which involve a considerable computational overhead due to the need of simulating multiple replicas of the…
We present various techniques that make orbit-following Monte Carlo simulations faster and more reliable when assessing collisionless fast particle losses due to magnetic field perturbations. These techniques are based on identifying…
Background: Path integrals are a powerful tool for solving problems in quantum theory that are not amenable to a treatment by perturbation theory. Most path integral computations require an analytic continuation to imaginary time. While…
The scalar field theory of cosmological inflation constitutes nowadays one of the preferred scenarios for the physics of the early universe. In this paper we aim at studying the inflationary universe making use of a numerical lattice…
This article presents a comparison of various implementations of the Lattice Discrete Particle Model (LDPM) for the numerical simulation of concrete and other heterogeneous quasibrittle materials. The comparison involves the use of…